Chemical Properties of Heptadecane, 4-propyl- (CAS 55044-10-5)

InChI

InChI=1S/C20H42/c1-4-7-8-9-10-11-12-13-14-15-16-19-20(17-5-2)18-6-3/h20H,4-19H2,1-3H3

InChI Key

KWOQMARCKSGDGU-UHFFFAOYSA-N

Formula

C20H42

SMILES

CCCCCCCCCCCCCC(CCC)CCC

Molecular Weight¹

282.55

CAS

55044-10-5

Other Names

• 4-Propylheptadecane
• 4-n-Propylheptadecane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8076		Relay (1.0) Calculated Property
ΔfG°	115.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-449.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.03	kJ/mol	Joback Calculated Property
ΔvapH°	95.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.52	eV	Relay (1.0) Calculated Property
log10WS	-8.55		Relay (1.0) Calculated Property
logPoct/wat	7.904		Crippen Calculated Property
McVol	292.660	ml/mol	McGowan Calculated Property
Pc	1020.73	kPa	Joback Calculated Property
Tboil	577.23	K	Relay (1.0) Calculated Property
Tc	747.29	K	Relay (1.0) Calculated Property
Tfus	[229.70; 270.70]	K
Tfus	270.65	K	NIST
Tfus	229.70 ± 10.00	K	NIST
Tfus	270.70 ± 10.00	K	NIST
Vc	1.134	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[429.44; 1051.69]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.69740e+01
Coefficient B			1.90976e+00
Coefficient C			-1.06740e-03
Coefficient D			2.26300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	429.44	J/mol×K	273.00	Calculated Property
Cp,gas	535.08	J/mol×K	353.78	Calculated Property
Cp,gas	629.93	J/mol×K	434.56	Calculated Property
Cp,gas	714.69	J/mol×K	515.33	Calculated Property
Cp,gas	790.09	J/mol×K	596.11	Calculated Property
Cp,gas	856.85	J/mol×K	676.89	Calculated Property
Cp,gas	915.67	J/mol×K	757.67	Calculated Property
Cp,gas	967.27	J/mol×K	838.44	Calculated Property
Cp,gas	1012.37	J/mol×K	919.22	Calculated Property
Cp,gas	1051.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0177750; 0.0001479]	Pa×s	[257.02; 573.18]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.27121e+01
Coefficient B			2.23146e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			257.02
Temperature range, max.			573.18
η	0.0177750	Pa×s	257.02	Calculated Property
η	0.0062576	Pa×s	292.15	Calculated Property
η	0.0027564	Pa×s	327.28	Calculated Property
η	0.0014233	Pa×s	362.41	Calculated Property
η	0.0008260	Pa×s	397.54	Calculated Property
η	0.0005237	Pa×s	432.66	Calculated Property
η	0.0003555	Pa×s	467.79	Calculated Property
η	0.0002548	Pa×s	502.92	Calculated Property
η	0.0001907	Pa×s	538.05	Calculated Property
η	0.0001479	Pa×s	573.18	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[443.56; 635.03]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42676e+01
Coefficient B			-4.77175e+03
Coefficient C			-1.02239e+02
Temperature range, min.			443.56
Temperature range, max.			635.03
Pvap	1.33	kPa	443.56	Calculated Property
Pvap	3.03	kPa	464.83	Calculated Property
Pvap	6.28	kPa	486.11	Calculated Property
Pvap	12.06	kPa	507.38	Calculated Property
Pvap	21.70	kPa	528.66	Calculated Property
Pvap	36.93	kPa	549.93	Calculated Property
Pvap	59.90	kPa	571.21	Calculated Property
Pvap	93.15	kPa	592.48	Calculated Property
Pvap	139.63	kPa	613.76	Calculated Property
Pvap	202.65	kPa	635.03	Calculated Property

Similar Compounds

Find more compounds similar to Heptadecane, 4-propyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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